CYJ

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
O4	C11	doub	1.22Å	1.24Å
C11	O3	sing	1.36Å	1.25Å
C11	C10	sing	1.51Å	1.53Å
O3	H3	sing	0.98Å	0.95Å
C10	C9	sing	1.52Å	1.55Å
C10	H101	sing	1.10Å	1.10Å
C10	H102	sing	1.10Å	1.10Å
C9	C8	sing	1.53Å	1.55Å
C9	H9C1	sing	1.09Å	1.10Å
C9	H9C2	sing	1.09Å	1.10Å
C8	C7	sing	1.54Å	1.56Å
C8	C3	sing	1.54Å	1.56Å
C8	H8	sing	1.10Å	1.10Å
C7	N6	sing	1.47Å	1.47Å
C7	H7C1	sing	1.10Å	1.10Å
C7	H7C2	sing	1.10Å	1.10Å
N6	C5	sing	1.46Å	1.46Å
N6	H6	sing	1.02Å	1.00Å
C5	C4	sing	1.51Å	1.52Å
C5	H5C1	sing	1.09Å	1.10Å
C5	H5C2	sing	1.10Å	1.10Å
C3	C2	sing	1.53Å	1.54Å
C3	C4	sing	1.52Å	1.53Å
C3	HB	sing	1.10Å	1.10Å
C2	C1	sing	1.50Å	1.52Å
C2	H2C1	sing	1.09Å	1.10Å
C2	H2C2	sing	1.09Å	1.10Å
C1	O1	sing	1.36Å	1.26Å
C1	O2	doub	1.22Å	1.24Å
O1	H1	sing	0.98Å	0.95Å
C4	NZ	doub	1.29Å	1.30Å
NZ	CE	sing	1.45Å	1.47Å
CE	CD	sing	1.53Å	1.52Å
CE	HEC1	sing	1.09Å	1.10Å
CE	HEC2	sing	1.09Å	1.10Å
CD	CG	sing	1.53Å	1.53Å
CD	HDC1	sing	1.10Å	1.10Å
CD	HDC2	sing	1.10Å	1.10Å
CG	CB	sing	1.54Å	1.52Å
CG	HGC1	sing	1.10Å	1.10Å
CG	HGC2	sing	1.10Å	1.10Å
CB	CA	sing	1.54Å	1.51Å
CB	HBC1	sing	1.10Å	1.10Å
CB	HBC2	sing	1.10Å	1.10Å
CA	N	sing	1.46Å	1.43Å
CA	C	sing	1.52Å	1.52Å
CA	HA	sing	1.10Å	1.10Å
N	H	sing	1.00Å	1.00Å
N	H2	sing	1.00Å	1.00Å
C	O	doub	1.22Å	1.22Å
C	OXT	sing	1.36Å	123.15Å
OXT	HXT	sing	0.98Å	0.95Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
O4	C11	O3	123.1°	123.3°
O4	C11	C10	118.1°	123.8°
O3	C11	C10	118.7°	112.9°
C11	O3	H3	109.5°	115.5°
C11	C10	C9	109.5°	111.9°
C11	C10	H101	109.4°	110.6°
C11	C10	H102	109.4°	106.9°
C9	C10	H101	109.5°	111.6°
C9	C10	H102	109.5°	109.6°
C10	C9	C8	113.7°	112.5°
C10	C9	H9C1	107.1°	109.0°
C10	C9	H9C2	108.1°	110.7°
H101	C10	H102	109.5°	105.9°
C8	C9	H9C1	107.2°	108.2°
C8	C9	H9C2	108.1°	108.8°
C9	C8	C7	111.7°	110.5°
C9	C8	C3	113.4°	112.8°
C9	C8	H8	106.1°	106.5°
H9C1	C9	H9C2	112.8°	107.4°
C7	C8	C3	112.2°	111.9°
C7	C8	H8	107.4°	107.3°
C8	C7	N6	113.9°	110.9°
C8	C7	H7C1	107.0°	111.1°
C8	C7	H7C2	108.0°	109.6°
C3	C8	H8	105.4°	107.4°
C8	C3	C2	107.3°	115.2°
C8	C3	C4	105.0°	107.6°
C8	C3	HB	118.4°	108.8°
N6	C7	H7C1	107.0°	110.1°
N6	C7	H7C2	108.0°	108.4°
C7	N6	C5	120.7°	111.9°
C7	N6	H6	105.9°	109.4°
H7C1	C7	H7C2	113.0°	106.5°
C5	N6	H6	105.9°	109.4°
N6	C5	C4	102.0°	108.2°
N6	C5	H5C1	113.6°	109.8°
N6	C5	H5C2	112.0°	111.3°
C4	C5	H5C1	113.6°	110.1°
C4	C5	H5C2	112.1°	109.5°
C5	C4	C3	117.6°	118.1°
C5	C4	NZ	116.0°	120.0°
H5C1	C5	H5C2	103.9°	108.0°
C2	C3	C4	120.5°	109.0°
C2	C3	HB	102.0°	107.6°
C3	C2	C1	118.4°	111.7°
C3	C2	H2C1	104.5°	108.8°
C3	C2	H2C2	106.6°	108.9°
C4	C3	HB	104.5°	108.4°
C3	C4	NZ	124.8°	121.9°
C1	C2	H2C1	104.5°	108.9°
C1	C2	H2C2	106.6°	108.9°
C2	C1	O1	117.7°	109.7°
C2	C1	O2	121.2°	126.5°
H2C1	C2	H2C2	116.8°	109.6°
O1	C1	O2	121.0°	123.8°
C1	O1	H1	109.5°	111.8°
C4	NZ	CE	129.0°	114.3°
NZ	CE	CD	114.2°	109.9°
NZ	CE	HEC1	106.8°	109.7°
NZ	CE	HEC2	107.9°	108.7°
CD	CE	HEC1	106.9°	110.9°
CD	CE	HEC2	107.9°	109.7°
CE	CD	CG	106.3°	112.4°
CE	CD	HDC1	111.2°	108.6°
CE	CD	HDC2	110.6°	109.7°
HEC1	CE	HEC2	113.2°	107.9°
CG	CD	HDC1	111.3°	109.1°
CG	CD	HDC2	110.6°	109.6°
CD	CG	CB	108.9°	111.0°
CD	CG	HGC1	109.8°	109.6°
CD	CG	HGC2	109.7°	109.2°
HDC1	CD	HDC2	107.0°	107.2°
CB	CG	HGC1	109.8°	109.9°
CB	CG	HGC2	109.6°	109.9°
CG	CB	CA	110.5°	114.5°
CG	CB	HBC1	108.9°	108.8°
CG	CB	HBC2	109.1°	108.9°
HGC1	CG	HGC2	109.0°	107.3°
CA	CB	HBC1	108.9°	109.1°
CA	CB	HBC2	109.2°	108.9°
CB	CA	N	109.9°	111.5°
CB	CA	C	111.3°	112.2°
CB	CA	HA	107.1°	109.4°
HBC1	CB	HBC2	110.2°	106.3°
N	CA	C	106.9°	108.2°
N	CA	HA	111.5°	107.8°
CA	N	H	109.5°	118.0°
CA	N	H2	109.5°	117.9°
C	CA	HA	110.1°	107.6°
CA	C	O	124.4°	126.3°
CA	C	OXT	158.5°	110.4°
H	N	H2	109.5°	122.6°
O	C	OXT	66.4°	123.2°
C	OXT	HXT	158.6°	111.9°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
O4	C11	O3	C10	179.5°	178.8°
O4	C11	O3	H3	0.0°	0.0°
O4	C11	C10	C9	165.1°	5.1°
O4	C11	C10	H101	74.9°	120.0°
O4	C11	C10	H102	45.1°	125.2°
O3	C11	C10	C9	15.3°	176.0°
O3	C11	C10	H101	104.6°	58.8°
O3	C11	C10	H102	135.3°	56.0°
C10	C11	O3	H3	179.5°	178.8°
C11	C10	C9	H101	120.0°	124.6°
C11	C10	C9	H102	120.0°	118.4°
C11	C10	H101	H102	120.0°	115.4°
C11	C10	C9	C8	174.9°	179.9°
C11	C10	C9	H9C1	66.9°	60.0°
C11	C10	C9	H9C2	54.9°	57.9°
C9	C10	H101	H102	120.0°	119.3°
C10	C9	C8	H9C1	118.2°	120.5°
C10	C9	C8	H9C2	120.0°	123.0°
C10	C9	H9C1	H9C2	118.8°	120.0°
C10	C9	C8	C7	65.0°	179.4°
C10	C9	C8	C3	167.0°	53.3°
C10	C9	C8	H8	51.7°	64.3°
H101	C10	C9	C8	54.9°	55.3°
H101	C10	C9	H9C1	173.1°	175.4°
H101	C10	C9	H9C2	65.1°	66.7°
H102	C10	C9	C8	65.2°	61.7°
H102	C10	C9	H9C1	53.0°	58.4°
H102	C10	C9	H9C2	174.9°	176.3°
C8	C9	H9C1	H9C2	118.9°	117.3°
C9	C8	C7	C3	128.6°	126.6°
C9	C8	C7	H8	115.9°	115.8°
C9	C8	C3	H8	115.7°	117.1°
C9	C8	C7	N6	170.5°	177.1°
C9	C8	C7	H7C1	71.4°	60.1°
C9	C8	C7	H7C2	50.5°	57.4°
C9	C8	C3	C2	46.2°	51.1°
C9	C8	C3	C4	175.5°	173.0°
C9	C8	C3	HB	68.4°	69.7°
H9C1	C9	C8	C7	53.2°	60.0°
H9C1	C9	C8	C3	74.8°	173.9°
H9C1	C9	C8	H8	169.9°	56.2°
H9C2	C9	C8	C7	175.0°	56.4°
H9C2	C9	C8	C3	47.0°	69.7°
H9C2	C9	C8	H8	68.2°	172.7°
C7	C8	C3	H8	116.6°	117.6°
C8	C7	N6	H7C1	118.0°	123.4°
C8	C7	N6	H7C2	120.0°	120.4°
C8	C7	H7C1	H7C2	118.8°	119.3°
C8	C7	N6	C5	46.8°	62.0°
C8	C7	N6	H6	166.8°	59.4°
C7	C8	C3	C2	81.5°	74.2°
C7	C8	C3	C4	47.8°	47.6°
C7	C8	C3	HB	163.9°	164.9°
C3	C8	C7	N6	41.9°	56.3°
C3	C8	C7	H7C1	160.0°	66.5°
C3	C8	C7	H7C2	78.1°	176.0°
C8	C3	C4	C5	64.0°	48.9°
C8	C3	C2	C4	119.9°	121.1°
C8	C3	C2	HB	125.1°	121.5°
C8	C3	C4	HB	125.3°	117.5°
C8	C3	C2	C1	177.0°	179.2°
C8	C3	C2	H2C1	61.3°	58.9°
C8	C3	C2	H2C2	63.0°	60.5°
C8	C3	C4	NZ	101.2°	133.2°
H8	C8	C7	N6	73.5°	61.3°
H8	C8	C7	H7C1	44.5°	175.9°
H8	C8	C7	H7C2	166.5°	58.4°
H8	C8	C3	C2	161.9°	168.2°
H8	C8	C3	C4	68.8°	69.9°
H8	C8	C3	HB	47.3°	47.3°
N6	C7	H7C1	H7C2	118.8°	117.4°
C7	N6	C5	H6	120.0°	121.4°
C7	N6	C5	C4	52.6°	58.3°
C7	N6	C5	H5C1	175.2°	178.5°
C7	N6	C5	H5C2	67.5°	62.0°
H7C1	C7	N6	C5	164.9°	61.4°
H7C1	C7	N6	H6	75.2°	177.2°
H7C2	C7	N6	C5	73.2°	177.5°
H7C2	C7	N6	H6	46.8°	61.0°
N6	C5	C4	H5C1	122.7°	120.0°
N6	C5	C4	H5C2	120.0°	121.5°
N6	C5	H5C1	H5C2	122.0°	121.5°
N6	C5	C4	C3	63.2°	54.1°
N6	C5	C4	NZ	103.2°	127.9°
H6	N6	C5	C4	172.6°	63.1°
H6	N6	C5	H5C1	64.8°	57.1°
H6	N6	C5	H5C2	52.5°	176.5°
C4	C5	H5C1	H5C2	122.0°	119.5°
C5	C4	C3	C2	57.0°	76.7°
C5	C4	C3	NZ	165.2°	177.9°
C5	C4	C3	HB	170.8°	166.4°
C5	C4	NZ	CE	179.8°	179.9°
H5C1	C5	C4	C3	174.1°	174.1°
H5C1	C5	C4	NZ	19.4°	8.0°
H5C2	C5	C4	C3	56.8°	67.4°
H5C2	C5	C4	NZ	136.7°	110.6°
C2	C3	C4	HB	113.7°	116.9°
C3	C2	C1	H2C1	115.7°	120.2°
C3	C2	C1	H2C2	120.0°	120.3°
C3	C2	H2C1	H2C2	117.5°	119.0°
C3	C2	C1	O1	152.8°	150.3°
C3	C2	C1	O2	26.3°	29.7°
C2	C3	C4	NZ	137.8°	101.2°
C4	C3	C2	C1	57.1°	59.7°
C4	C3	C2	H2C1	58.6°	180.0°
C4	C3	C2	H2C2	177.1°	60.6°
C3	C4	NZ	CE	14.4°	2.0°
HB	C3	C2	C1	57.9°	57.7°
HB	C3	C2	H2C1	173.6°	62.6°
HB	C3	C2	H2C2	62.1°	178.0°
HB	C3	C4	NZ	24.1°	15.7°
C1	C2	H2C1	H2C2	117.4°	119.1°
C2	C1	O1	O2	179.1°	180.0°
C2	C1	O1	H1	179.1°	180.0°
H2C1	C2	C1	O1	37.1°	30.0°
H2C1	C2	C1	O2	142.0°	150.0°
H2C2	C2	C1	O1	87.2°	89.5°
H2C2	C2	C1	O2	93.7°	90.5°
O2	C1	O1	H1	0.0°	0.0°
C4	NZ	CE	CD	171.3°	177.8°
C4	NZ	CE	HEC1	70.8°	60.0°
C4	NZ	CE	HEC2	51.3°	57.7°
NZ	CE	CD	HEC1	117.9°	121.4°
NZ	CE	CD	HEC2	120.0°	119.5°
NZ	CE	HEC1	HEC2	118.7°	118.3°
NZ	CE	CD	CG	175.9°	61.4°
NZ	CE	CD	HDC1	54.6°	177.7°
NZ	CE	CD	HDC2	64.1°	60.9°
CD	CE	HEC1	HEC2	118.7°	120.2°
CE	CD	CG	HDC1	121.2°	120.5°
CE	CD	CG	HDC2	120.0°	122.3°
CE	CD	HDC1	HDC2	120.9°	118.4°
CE	CD	CG	CB	175.5°	179.5°
CE	CD	CG	HGC1	64.3°	58.0°
CE	CD	CG	HGC2	55.5°	59.3°
HEC1	CE	CD	CG	66.2°	60.0°
HEC1	CE	CD	HDC1	172.5°	60.9°
HEC1	CE	CD	HDC2	53.8°	177.7°
HEC2	CE	CD	CG	55.9°	179.1°
HEC2	CE	CD	HDC1	65.4°	58.2°
HEC2	CE	CD	HDC2	175.9°	58.6°
CG	CD	HDC1	HDC2	120.9°	118.7°
CD	CG	CB	HGC1	120.3°	121.3°
CD	CG	CB	HGC2	120.0°	120.9°
CD	CG	HGC1	HGC2	120.2°	118.4°
CD	CG	CB	CA	175.3°	177.6°
CD	CG	CB	HBC1	55.7°	60.0°
CD	CG	CB	HBC2	64.7°	55.4°
HDC1	CD	CG	CB	54.2°	60.0°
HDC1	CD	CG	HGC1	174.5°	178.5°
HDC1	CD	CG	HGC2	65.8°	61.3°
HDC2	CD	CG	CB	64.5°	57.1°
HDC2	CD	CG	HGC1	55.7°	64.4°
HDC2	CD	CG	HGC2	175.5°	178.4°
CB	CG	HGC1	HGC2	120.1°	119.4°
CG	CB	CA	HBC1	119.6°	122.2°
CG	CB	CA	HBC2	120.0°	122.2°
CG	CB	HBC1	HBC2	119.7°	117.1°
CG	CB	CA	N	175.1°	59.4°
CG	CB	CA	C	56.9°	62.2°
CG	CB	CA	HA	63.5°	178.6°
HGC1	CG	CB	CA	64.4°	56.3°
HGC1	CG	CB	HBC1	176.0°	178.7°
HGC1	CG	CB	HBC2	55.6°	65.9°
HGC2	CG	CB	CA	55.3°	61.5°
HGC2	CG	CB	HBC1	64.3°	60.9°
HGC2	CG	CB	HBC2	175.3°	176.3°
CA	CB	HBC1	HBC2	119.7°	117.3°
CB	CA	N	C	120.9°	123.8°
CB	CA	N	HA	118.7°	120.1°
CB	CA	C	HA	118.7°	120.4°
CB	CA	N	H	94.9°	96.7°
CB	CA	N	H2	25.1°	96.8°
CB	CA	C	O	61.1°	119.7°
CB	CA	C	OXT	53.4°	61.1°
HBC1	CB	CA	N	65.3°	178.4°
HBC1	CB	CA	C	176.5°	60.0°
HBC1	CB	CA	HA	56.1°	59.2°
HBC2	CB	CA	N	55.2°	62.8°
HBC2	CB	CA	C	63.0°	175.6°
HBC2	CB	CA	HA	176.5°	56.3°
N	CA	C	HA	121.3°	116.2°
CA	N	H	H2	120.0°	165.9°
N	CA	C	O	58.9°	3.8°
N	CA	C	OXT	173.4°	175.4°
C	CA	N	H	144.2°	27.2°
C	CA	N	H2	95.8°	139.4°
CA	C	O	OXT	158.7°	179.1°
CA	C	OXT	HXT	179.9°	179.3°
HA	CA	N	H	23.7°	143.2°
HA	CA	N	H2	143.8°	23.4°
HA	CA	C	O	179.7°	120.0°
HA	CA	C	OXT	65.3°	59.2°
O	C	OXT	HXT	55.1°	0.0°

Definition date:	2005-09-11
Last modified:	2024-09-27
Release status:	REL
Processing site:	EBI
Derived from:	2C14